1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione

C14H16F2N2O2 — CID 82923931

IUPAC1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-3-14(4-2)12(19)17-13(20)18(14)8-9-5-6-10(15)11(16)7-9/h5-7H,3-4,8H2,1-2H3,(H,17,19,20)
InChIKeyKFXTWUOAZMFSME-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.58
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione

1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 82923931) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID82923931
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-3-14(4-2)12(19)17-13(20)18(14)8-9-5-6-10(15)11(16)7-9/h5-7H,3-4,8H2,1-2H3,(H,17,19,20)
InChIKeyKFXTWUOAZMFSME-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-[(5,5-diethyl-2,4-dioxoimidazolidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107887891
1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 82924183
5,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 105375384
5,5-diethyl-1-[(5-methyl-3-pyridinyl)methyl]imidazolidine-2,4-dione
CID 102879290
1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 54965624
1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 107887894
1-[(3,4-difluorophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 82930055
1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107887895
1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione
CID 82929589
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
(3aR,6aS)-5-[(3,4-difluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042179

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione (CID 82923931) is 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)C(=O)NC(=O)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is KFXTWUOAZMFSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-14(4-2)12(19)17-13(20)18(14)8-9-5-6-10(15)11(16)7-9/h5-7H,3-4,8H2,1-2H3,(H,17,19,20).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione?
1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 282.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 82923931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).